Molecule ID: mol5257
SMILES: NNC(=O)c1ccccc1N
InChI: InChI=1S/C7H9N3O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.85 | Datawarrior | 2 » 1 |
| 1.85 | QSARToolbox | 2 » 1 |
| 3.47 | Datawarrior | 1 » 0 |
| 3.47 | OCHEM | 1 » 0 |
| 12.80 | Datawarrior | 0 » -1 |
| 12.80 | OCHEM | 0 » -1 |